4-piperidin-4-yloxypyrimidine

C9H13N3O — CID 62342450

IUPAC4-piperidin-4-yloxypyrimidine
SMILESc1cc(OC2CCNCC2)ncn1
InChIInChI=1S/C9H13N3O/c1-4-10-5-2-8(1)13-9-3-6-11-7-12-9/h3,6-8,10H,1-2,4-5H2
InChIKeyAQOOEYUGDLSSRH-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.61
Rot. Bonds2

About 4-piperidin-4-yloxypyrimidine

4-piperidin-4-yloxypyrimidine (PubChem CID 62342450) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 4-piperidin-4-yloxypyrimidine.

Molecular Properties

Compound Name4-piperidin-4-yloxypyrimidine
PubChem CID62342450
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name4-piperidin-4-yloxypyrimidine
SMILESc1cc(OC2CCNCC2)ncn1
InChIInChI=1S/C9H13N3O/c1-4-10-5-2-8(1)13-9-3-6-11-7-12-9/h3,6-8,10H,1-2,4-5H2
InChIKeyAQOOEYUGDLSSRH-UHFFFAOYSA-N
XLogP0.61
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-piperidin-4-yloxypyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-yloxypyrimidine?
The IUPAC name of 4-piperidin-4-yloxypyrimidine (CID 62342450) is 4-piperidin-4-yloxypyrimidine.
What is the SMILES notation for 4-piperidin-4-yloxypyrimidine?
The canonical SMILES for 4-piperidin-4-yloxypyrimidine is c1cc(OC2CCNCC2)ncn1.
What is the InChIKey of 4-piperidin-4-yloxypyrimidine?
The InChIKey is AQOOEYUGDLSSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-4-10-5-2-8(1)13-9-3-6-11-7-12-9/h3,6-8,10H,1-2,4-5H2.
What are the key properties of 4-piperidin-4-yloxypyrimidine?
4-piperidin-4-yloxypyrimidine has a molecular weight of 179.22 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-yloxypyrimidine is sourced from PubChem (CID 62342450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).